5-cyclopentyl-8-methyl-3-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-e][1,2,4]triazin-6-one

Systemtic Name: 5-cyclopentyl-8-methyl-3-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-e][1,2,4]triazin-6-one Openeye Name: 5-cyclopentyl-8-methyl-3-(4-piperazin-1-ylanilino)pyrido[2,3-e][1,2,4]triazin-6-one CAS Name: 5-cyclopentyl-8-methyl-3-[4-(1-piperazinyl)anilino]-6-pyrido[2,3-e][1,2,4]triazinone IUPAC Name: 5-cyclopentyl-8-methyl-3-(4-piperazin-1-ylanilino)pyrido[2,3-e][1,2,4]triazin-6-one Traditional Name: 5-cyclopentyl-8-methyl-3-(4-piperazinoanilino)pyrido[2,3-e][1,2,4]triazin-6-one Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C2=C1N=NC(=N2)NC3=CC=C(C=C3)N4CCNCC4)C5CCCC5

Isomeric SMILES

CC1=CC(=O)N(C2=C1N=NC(=N2)NC3=CC=C(C=C3)N4CCNCC4)C5CCCC5

InChI

InChI=1S/C22H27N7O/c1-15-14-19(30)29(18-4-2-3-5-18)21-20(15)26-27-22(25-21)24-16-6-8-17(9-7-16)28-12-10-23-11-13-28/h6-9,14,18,23H,2-5,10-13H2,1H3,(H,24,25,27)